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57002-06-9 molecular structure
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dodeca-8,10-dien-1-ol

ChemBase ID: 107304
Molecular Formular: C12H22O
Molecular Mass: 182.30248
Monoisotopic Mass: 182.16706532
SMILES and InChIs

SMILES:
C/C=C/C=C/CCCCCCCO
Canonical SMILES:
OCCCCCCC/C=C/C=C/C
InChI:
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3
InChIKey:
CSWBSLXBXRFNST-UHFFFAOYSA-N

Cite this record

CBID:107304 http://www.chembase.cn/molecule-107304.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dodeca-8,10-dien-1-ol
(8E,10E)-dodeca-8,10-dien-1-ol
IUPAC Traditional name
dodeca-8,10-dien-1-ol
codlemone
Synonyms
E,E-8,10-DODECADIEN-1-OL
(E,E)-8,10-DDDOL
trans-8, trans-10-Dodecadienol
8,10-DODECADIEN-1-OL
trans-8, trans-10-Dodecadienol
Codlemone
反式-8、反式-10-十二碳二烯醇
反式-8-反式-10-十二碳二烯-1-醇
反式-8、反式-10-十二碳二烯醇
十二碳二烯醇
CAS Number
57002-06-9
33956-49-9
EC Number
260-506-4
251-761-2
MDL Number
MFCD00009992
Beilstein Number
2325636
PubChem SID
24867532
162093899
PubChem CID
1787910

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 3.638028 
LogD (pH = 7.4) 3.638028  Log P 3.638028 
Molar Refractivity 61.1761 cm3 Polarizability 23.00805 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
30-32 °C expand Show data source
Flash Point
195.8 °F expand Show data source
91 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
38-43 expand Show data source
Safety Statements
36/37 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H334-H400 expand Show data source
GHS Precautionary statements
P261-P273-P342 + P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (GC) expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3CH=CHCH=CHCH2(CH2)5CH2OH expand Show data source
Classification
Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05203287 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 32716 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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